(2S)-N-(12-azanyldodecyl)-3-(4-hydroxyphenyl)-2-(2-phenylethanoylamino)propanamide

Systemtic Name: (2S)-N-(12-azanyldodecyl)-3-(4-hydroxyphenyl)-2-(2-phenylethanoylamino)propanamide Openeye Name: (2S)-N-(12-aminododecyl)-3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanamide CAS Name: (2S)-N-(12-aminododecyl)-3-(4-hydroxyphenyl)-2-[(1-oxo-2-phenylethyl)amino]propanamide IUPAC Name: (2S)-N-(12-aminododecyl)-3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanamide Traditional Name: (2S)-N-(12-aminododecyl)-3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propionamide Formula: C29H43N3O3 MolecularWeight: 481.67002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(CC2=CC=C(C=C2)O)C(=O)NCCCCCCCCCCCCN

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NCCCCCCCCCCCCN

InChI

InChI=1S/C29H43N3O3/c30-20-12-7-5-3-1-2-4-6-8-13-21-31-29(35)27(22-25-16-18-26(33)19-17-25)32-28(34)23-24-14-10-9-11-15-24/h9-11,14-19,27,33H,1-8,12-13,20-23,30H2,(H,31,35)(H,32,34)/t27-/m0/s1